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Home > Nitro Compounds > 5228-50-2

5228-50-2

5228-50-2 | 2H-Indazole, 2-ethyl-5-nitro-

CAS No: 5228-50-2 Catalog No: AG00I9CO MDL No:MFCD27981313

Product Description

Catalog Number:
AG00I9CO
Chemical Name:
2H-Indazole, 2-ethyl-5-nitro-
CAS Number:
5228-50-2
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD27981313
IUPAC Name:
2-ethyl-5-nitroindazole
InChI:
InChI=1S/C9H9N3O2/c1-2-11-6-7-5-8(12(13)14)3-4-9(7)10-11/h3-6H,2H2,1H3
InChI Key:
USHQCKGUIXULLT-UHFFFAOYSA-N
SMILES:
CCn1nc2c(c1)cc(cc2)[N+](=O)[O-]

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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